1,5,8,12-Tetramethyl-15-propan-2-yltetracyclo[9.7.0.02,8.012,16]octadec-16-ene-5,6,7,9-tetrol

Details

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Internal ID 4886a318-3648-4639-9254-db082faead05
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclitols and derivatives
IUPAC Name 1,5,8,12-tetramethyl-15-propan-2-yltetracyclo[9.7.0.02,8.012,16]octadec-16-ene-5,6,7,9-tetrol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H42O4/c1-14(2)15-7-10-22(3)16(15)8-11-23(4)17-9-12-24(5,29)20(27)21(28)25(17,6)19(26)13-18(22)23/h8,14-15,17-21,26-29H,7,9-13H2,1-6H3
InChI Key WMNBQKASDSMKDY-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H42O4
Molecular Weight 406.60 g/mol
Exact Mass 406.30830982 g/mol
Topological Polar Surface Area (TPSA) 80.90 Ų
XlogP 3.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,5,8,12-Tetramethyl-15-propan-2-yltetracyclo[9.7.0.02,8.012,16]octadec-16-ene-5,6,7,9-tetrol

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL221 P23219 Cyclooxygenase-1 96.21% 90.17%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.29% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.71% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.19% 96.09%
CHEMBL2581 P07339 Cathepsin D 89.88% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.10% 95.89%
CHEMBL2996 Q05655 Protein kinase C delta 88.05% 97.79%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.29% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.98% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.35% 95.56%
CHEMBL226 P30542 Adenosine A1 receptor 83.12% 95.93%
CHEMBL1871 P10275 Androgen Receptor 82.93% 96.43%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.80% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.27% 94.45%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.72% 82.69%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 162814251
LOTUS LTS0093725
wikiData Q104200412